[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone

C14H20N2O3 — CID 107705006

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESCC1CCCN(C(=O)c2cc(O)cc(O)c2)C1CN
InChIInChI=1S/C14H20N2O3/c1-9-3-2-4-16(13(9)8-15)14(19)10-5-11(17)7-12(18)6-10/h5-7,9,13,17-18H,2-4,8,15H2,1H3
InChIKeyQPFUVDOEZKWFEK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.30
Rot. Bonds2

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone (PubChem CID 107705006) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
PubChem CID107705006
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESCC1CCCN(C(=O)c2cc(O)cc(O)c2)C1CN
InChIInChI=1S/C14H20N2O3/c1-9-3-2-4-16(13(9)8-15)14(19)10-5-11(17)7-12(18)6-10/h5-7,9,13,17-18H,2-4,8,15H2,1H3
InChIKeyQPFUVDOEZKWFEK-UHFFFAOYSA-N
XLogP1.30
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 102783565
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
CID 119597209

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone (CID 107705006) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone is CC1CCCN(C(=O)c2cc(O)cc(O)c2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The InChIKey is QPFUVDOEZKWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-3-2-4-16(13(9)8-15)14(19)10-5-11(17)7-12(18)6-10/h5-7,9,13,17-18H,2-4,8,15H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107705006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).